ChemSpider 2D Image | 1-(6-[(3,4-Dimethylphenoxy)methyl]-6-hydroxy-4-{[4-hydroxy-1-(3-methoxyphenyl)-4-piperidinyl]methyl}-1,4-diazepan-1-yl)ethanone | C29H41N3O5

1-(6-[(3,4-Dimethylphenoxy)methyl]-6-hydroxy-4-{[4-hydroxy-1-(3-methoxyphenyl)-4-piperidinyl]methyl}-1,4-diazepan-1-yl)ethanone

  • Molecular FormulaC29H41N3O5
  • Average mass511.653 Da
  • Monoisotopic mass511.304626 Da
  • ChemSpider ID68719195

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(6-[(3,4-Dimethylphenoxy)methyl]-6-hydroxy-4-{[4-hydroxy-1-(3-methoxyphenyl)-4-piperidinyl]methyl}-1,4-diazepan-1-yl)ethanon [German] [ACD/IUPAC Name]
1-(6-[(3,4-Dimethylphenoxy)methyl]-6-hydroxy-4-{[4-hydroxy-1-(3-methoxyphenyl)-4-piperidinyl]methyl}-1,4-diazepan-1-yl)ethanone [ACD/IUPAC Name]
1-(6-[(3,4-Diméthylphénoxy)méthyl]-6-hydroxy-4-{[4-hydroxy-1-(3-méthoxyphényl)-4-pipéridinyl]méthyl}-1,4-diazépan-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[6-[(3,4-dimethylphenoxy)methyl]hexahydro-6-hydroxy-4-[[4-hydroxy-1-(3-methoxyphenyl)-4-piperidinyl]methyl]-1H-1,4-diazepin-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 715.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.3±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 143.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 17.69
ACD/KOC (pH 5.5): 130.30
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 209.97
ACD/KOC (pH 7.4): 1546.55
Polar Surface Area: 86 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 429.7±3.0 cm3

Click to predict properties on the Chemicalize site


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